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DOE OSTI2023

Metagenomic mapping of cyanobacteria and potential cyanotoxin producing taxa in large rivers of the United States

Abstract Cyanobacteria and cyanotoxin producing cyanobacterial blooms are a trending focus of current research. Many studies focus on bloom events in lentic environments such as lakes or ponds. Comparatively few studies have explored lotic environments and fewer still have examined the cyanobacterial communities and potential cyanotoxin producers during ambient, non-bloom conditions. Here we used a metagenomics-based approach to profile non-bloom microbial communities and cyanobacteria in 12 major U.S. rivers at multiple time points during the summer months of 2019. Our data show that U.S. rivers possess microbial communities that are taxonomically rich, yet largely consistent across geographic location and time. Within these communities, cyanobacteria often comprise significant portions and frequently include multiple species with known cyanotoxin producing strains. We further characterized these potential cyanotoxin producing taxa by deep sequencing amplicons of the microcystin E ( mcyE ) gene. We found that rivers containing the highest levels of potential cyanotoxin producing cyanobacteria consistently possess taxa with the genetic potential for cyanotoxin production and that, among these taxa, the predominant genus of origin for the mcyE gene is Microcystis . Combined, these data provide a unique perspective on cyanobacteria and potential cyanotoxin producing taxa that exist in large rivers across the U.S. and can be used to better understand the ambient conditions that may precede bloom events in lotic freshwater ecosystems.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1993

Using SFOC to fly the Magellan Venus mapping mission

Traditionally, spacecraft flight operations at the Jet Propulsion Laboratory (JPL) have been performed by teams of spacecraft experts utilizing ground software designed specifically for the current mission. The Jet Propulsion Laboratory set out to reduce the cost of spacecraft mission operations by designing ground data processing software that could be used by multiple spacecraft missions, either sequentially or concurrently. The Space Flight Operations Center (SFOC) System was developed to provide the ground data system capabilities needed to monitor several spacecraft simultaneously and provide enough flexibility to meet the specific needs of individual projects. The Magellan Spacecraft Team utilizes the SFOC hardware and software designed for engineering telemetry analysis, both real-time and non-real-time. The flexibility of the SFOC System has allowed the spacecraft team to integrate their own tools with SFOC tools to perform the tasks required to operate a spacecraft mission. This paper describes how the Magellan Spacecraft Team is utilizing the SFOC System in conjunction with their own software tools to perform the required tasks of spacecraft event monitoring as well as engineering data analysis and trending.

Bucher, Allen W.↗

NASA NTRS2009

Data-Link and Surface Map Traffic Intent Displays for NextGen 4DT and Equivalent Visual Surface Operations

By 2025, U.S. air traffic is predicted to increase 3-fold and may strain the current air traffic management system, which may not be able to accommodate this growth. In response to this challenge, a consortium of industry, academia and government agencies have proposed a revolutionary new concept for U.S. aviation operations, termed the Next Generation Air Transportation System or "NextGen". Many key capabilities are being identified to enable NextGen, including the concept of "net-centric" operations whereby each aircraft and air services provider shares information to allow real-time adaptability to ever-changing factors such as weather, traffic, flight trajectories, and security. Data-link is likely to be the primary source of communication in NextGen. Because NextGen represents a radically different approach to air traffic management and requires a dramatic shift in the tasks, roles, and responsibilities for the flight deck, there are numerous research issues and challenges that must be overcome to ensure a safe, sustainable air transportation system. Flight deck display and crew-vehicle interaction concepts are being developed that proactively investigate and overcome potential technology and safety barriers that might otherwise constrain the full realization of NextGen.

Shelton, Kevin J.↗

NASA NTRS2010

Develop Critical Profilometers to Meet Current and Future Composite Overwrapped Pressure Vessel (COPV) Interior Inspection Needs

The objective of this project is to develop laser profilometer technology that can efficiently inspect and map the inside of composite pressure vessels for flaws such as liner buckling, pitting, or other surface imperfections. The project will also provide profilometers that can directly support inspections of flight vessels during development and qualification programs and subsequently be implemented into manufacturing inspections to screen out vessels with "out of family" liner defects. An example interior scan of a carbon overwrapped bottle is shown in comparison to an external view of the same bottle (Fig. 1). The internal scan is primarily of the cylindrical portion, but extends about 0.15 in. into the end cap area.

Saulsberry, Regor L.↗

NASA NTRS2001

Controlling Fringe Sensitivity of Electro-Optic Holography Systems Using Laser Diode Current Modulation

Electro-Optic Holography (EOH) is a non-intrusive, laser-based, displacement measurement technique capable of static and dynamic displacement measurements. EOH is an optical interference technique in which fringe patterns that represent displacement contour maps are generated. At excessively large displacements the fringe density may be so great that individual fringes are not resolvable using typical EOH techniques. This thesis focuses on the development and implementation of a method for controlling the sensitivity of the EOH system. This method is known as Frequency Translated Electro-Optic Holography (FTEOH). It was determined that by modulating the current source of the laser diode at integer multiples of the object vibration, the fringe pattern is governed by higher order Bessel function of the first kind and the number of fringes that represent a given displacement can be controlled. The reduction of fringes is theoretically unlimited but physically limited by the frequency bandwidth of the signal generator, providing modulation to the laser diode. Although this research technique has been verified theoretically and experimentally in this thesis, due to the current laser diode capabilities it is a tedious and time consuming process to acquire data using the FTEOH technique.

Bybee, Shannon J.↗

DOE OSTI2016

Sparse-grid, reduced-basis Bayesian inversion: Nonaffine-parametric nonlinear equations

We extend the reduced basis (RB) accelerated Bayesian inversion methods for affine-parametric, linear operator equations which are considered in [16,17] to non-affine, nonlinear parametric operator equations. We generalize the analysis of sparsity of parametric forward solution maps in [20] and of Bayesian inversion in [48,49] to the fully discrete setting, including Petrov–Galerkin high-fidelity (“HiFi”) discretization of the forward maps. We develop adaptive, stochastic collocation based reduction methods for the efficient computation of reduced bases on the parametric solution manifold. The nonaffinity and nonlinearity with respect to (w.r.t.) the distributed, uncertain parameters and the unknown solution is collocated; specifically, by the so-called Empirical Interpolation Method (EIM). For the corresponding Bayesian inversion problems, computational efficiency is enhanced in two ways: first, expectations w.r.t. the posterior are computed by adaptive quadratures with dimension-independent convergence rates proposed in [49]; the present work generalizes [49] to account for the impact of the PG discretization in the forward maps on the convergence rates of the Quantities of Interest (QoI for short). Second, we propose to perform the Bayesian estimation only w.r.t. a parsimonious, RB approximation of the posterior density. Based on the approximation results in [49], the infinite-dimensional parametric, deterministic forward map and operator admit N-term RB and EIM approximations which converge at rates which depend only on the sparsity of the parametric forward map. In several numerical experiments, the proposed algorithms exhibit dimension-independent convergence rates which equal, at least, the currently known rate estimates for N-term approximation. We propose to accelerate Bayesian estimation by first offline construction of reduced basis surrogates of the Bayesian posterior density. The parsimonious surrogates can then be employed for online data assimilation and for Bayesian estimation. They also open a perspective for optimal experimental design.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2017

X-ray Free Electron Laser Radiation Damage through the S-State Cycle of the Oxygen-Evolving Complex of Photosystem II

The oxygen-evolving complex (OEC) catalyzes water-splitting through a reaction mechanism that cycles the OEC through the “S-state” intermediates. Understanding structure/function relationsships of the S-states is crucial for elucidating the water-oxidation mechanism. Serial femtosecond X-ray crystallography has been used to obtain radiation damage-free structures. However, it remains to be established whether “diffraction-before-destruction” is actually accomplished or if significant changes are produced by the high-intensity X-ray pulses during the femtosecond scattering measurement. Here, we use ab initio molecular dynamics simulations to estimate the extent of structural changes induced on the femtosecond time scale. We found that the radiation damage is dependent on the bonding and charge of each atom in the OEC, in a manner that may provide lessons for XFEL studies of other metalloproteins. The maximum displacement of Mn and oxygen centers is 0.25 and 0.39 Å, respectively, during the 50 fs pulse, which is significantly smaller than the uncertainty given the 1.9 Å resolution of the current PSII crystal structures. However, these structural changes might be detectable when comparing isomorphous Fourier differences of electron density maps of the different S-states. Lastly, one conclusion is that pulses shorter than 15 fs should be used to avoid significant radiation damage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Nanoscale Elemental Mapping of Intact Solid–Liquid Interfaces and Reactive Materials in Energy Devices Enabled by Cryo-FIB/SEM

Many modern energy devices rely on solid–liquid interfaces, highly reactive materials, or both, for their operation and performance. The difficulty of characterizing such materials means these devices often lack high-resolution characterization in an unaltered state. Here, we demonstrate how cryogenic sample preparation and transfer can extend the capabilities of FIB/SEM techniques to solid–liquid interfaces and reactive materials common to energy devices by preserving their integrity through all stages of preparation and characterization. We additionally show how cryo-FIB/SEM paired with energy dispersive X-ray spectroscopy enables nanoscale elemental mapping of cross-sections produced in these materials and discuss strategies to achieve optimal results. Finally, we consider current limitations of the technique and propose future developments that could enhance its capabilities. Our results illustrate that cryo-FIB/SEM will be a useful technique for fields where solid–liquid interfaces or reactive materials play an important role and could, thus far, not be characterized at high resolution.

25 ENERGY STORAGE↗

DOE OSTI2019

Local electronic structure of the peptide bond probed by resonant inelastic soft X-ray scattering

The local valence orbital structure of solid glycine, diglycine, and triglycine is studied using soft X-ray emission spectroscopy (XES), resonant inelastic soft X-ray scattering (RIXS) maps, and spectra calculations based on density-functional theory. Using a building block approach, the contributions of the different functional groups of the peptides are separated. Cuts through the RIXS maps furthermore allow monitoring selective excitations of the amino and peptide functional units, leading to a modification of the currently established assignment of spectral contributions. The results thus paint a new-and-improved picture of the peptide bond, enhance the understanding of larger molecules with peptide bonds, and simplify the investigation of such molecules in aqueous environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Orbit-averaging and deposition accuracy for runaway electron beams in hybrid kinetic-MHD simulations of the runaway plateau

We develop a new procedure that combines the kinetic orbit runaway electron code (KORC) and the NIMROD extended-magnetohydrodynamic code to simulate runaway electrons (REs) in the post-disruption plateau. KORC integrates guiding-center orbits, with a barycentric-based binary search strategy providing initial guesses for the Newton–Raphson logical-to-physical coordinate inversion, ensuring reliable particle-to-mesh mapping in NIMROD, whose fields remain static for the present study. Samples are drawn in accord with experimental parallel current profiles of RE beams during the plateau phase. Deposition in NIMROD is verified through comparison with a Python-based finite-element code that ensures periodicity in the poloidal direction and continuity at the magnetic axis. Accurate representation of near-axis fields requires finer mesh resolution to prevent under- and overshoots in current density from orbit inaccuracies. Yet, at a fixed particle count, increasing mesh resolution amplifies statistical noise in the deposited fields. An orbit-averaging method accumulates partial current deposits over multiple kinetic steps and reduces the statistical noise with little added computational cost. By coupling kinetic routines from KORC directly into the NIMROD codebase, these developments lay essential groundwork for future self-consistent KORC–NIMROD coupling.

Algorithms and data structure↗

DOE OSTI2015

The AdS/CFT correspondence

We give a brief review of the AdS/CFT correspondence, which posits the equivalence between a certain gravitational theory and a lower-dimensional non-gravitational one. This remarkable duality, formulated in 1997, has sparked a vigorous research program which has gained in breadth over the years, with applications to many aspects of theoretical (and even experimental) physics, not least to general relativity and quantum gravity. To put the AdS/CFT correspondence in historical context, we start by reviewing the relevant aspects of string theory (of which no prior knowledge is assumed). We then develop the statement of the correspondence, and explain how the two sides of the duality map into each other. Finally, we discuss the implications and applications of the correspondence, and indicate some of the current trends in this subject. The presentation attempts to convey the main concepts in a simple and self-contained manner, relegating supplementary remarks to footnotes.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Using Information Automation and Human Technology Integration to Implement Integrated Operations for Nuclear

The purpose of the research effort described in this report is to develop and demonstrate an approach to the design and implementation of advanced, automated systems intended to increase operational efficiencies at nuclear power plants. In particular, we describe methods for considering human-technology integration (HTI) issues throughout the various phases of system design, test, and implementation and how these considerations help promote effective design. This research project will develop planning tools and comprehensive guidance on how HTI principles and methods, in combination with information automation technologies, can enable effective data integration and coordination for full nuclear plant modernization. Specifically, this research project will develop an approach to automate the mapping of data from plant systems and processes to application needs, thereby significantly reducing the amount of human workload currently required for the execution of these tasks. In addition to developing an automated solution as a replacement for these tasks, this research will also analyze digitalization’s effectiveness in reducing operational costs of compliance related activities. Compliance activities are estimated to account for as much as 50% of operations and maintenance (i.e., non-fuel and non-capital) costs of plant operation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

43-0434 Bridge Inspection Report 2019

The documentation includes the following: 1. 2019 NMDOT Bridge Inspection Report including Element Level Data Collection (in hardcopy and digital formats prepared by NMSU) conforms to the National Bridge Inspection Standards and AASHTO Manual for Bridge Element Inspection; 2. 2019 Supplemental Report (in hardcopy and digital formats prepared by NMSU) provides detailed information related to current condition of major bridge components; 3. 2019 Inspection Pictures (in digital format prepared by NMSU); 4. 2019 Delamination Map (in hardcopy format prepared by LANL) During the 2019 inspection, a critical finding was reported by email on June 22, 2019 regarding the condition of the north joint. The joint had suffered impact damage, possibly due to snow plows. This damage resulted in the seal being pulled out and the exposure of the reinforcing steel plate which was bent upward and in direct alignment with the vehicle wheel path. This was reported as a critical finding because the steel plate posed a serious hazard that could result in a punctured tire to vehicles, motorcyclists and/or bicyclists, and ultimately loss of control. This issue was immediately addressed and the hazard was eliminated by June 23, 2019. Based on the 2019 inspection, the bridge deck is rated in condition. Chain dragging the deck identified several areas with delamination. The delaminations are concentrated near the expansion joints, in the closure joint of the deck near the bridge centerline, and at the south end northbound lanes. The chain drag performed during the 2019 inspection revealed 34,620 sq. in. (240 sq. ft.) of delaminations (not including the sidewalk). It is recommended that the delaminations and spalls with exposed rebar be repaired. e 2019 inspection is provided in the supplemental report.

42 ENGINEERING↗

DOE OSTI2021

43-0434 Bridge Inspection Report 2021

The documentation includes the following: 1. 2021 NMDOT Bridge Inspection Report including Element Level Data Collection (in digital formats prepared by NMSU)--conforms to the National Bridge Inspection Standards and AASHTO Manual for Bridge Element Inspection; 2. 2021 Supplemental Report (in digital formats prepared by NMSU)--provides detailed information related to current condition of major bridge components; 3. 2021 Inspection Pictures (in digital format prepared by NMSU); 4. 2021 Delamination Map (in digital format prepared by LANL). During the 2021 inspection, three critical findings were reported to our LANL contact, Mr. Jonathan Stein, by text and/or email on June 26, 2021. 1. The south joint of the bridge had a modular section of the joint that could potentially come loose during the passing of vehicles. This was reported as a critical finding for safety. If the modular section becomes dislodged or deformed it could pose a serious hazard that could result in a punctured tire to vehicles, motorcyclists and/or bicyclist causing drivers/riders to lose control; 2. The bracket plate located at the north end of the bridge on the pedestrian walkway was corroded through and provides little protection to pedestrians and bicyclists. This was reported as a critical finding for safety to prevent injuries to people; 3. The north approach rail has three missing posts. These posts help ensure that traffic is redirected and the energy is absorbed by the rail. This was reported as a critical finding for safety. Additionally, the approach rail is on a curve with a nearby drop off. Immediate repair is recommended. Based on the 2021 inspection, the bridge deck is rated in "fair" condition. The chain drag performed on the deck identified several areas with delamination that are concentrated near the expansion joints, in the closure joint of the deck near the bridge centerline, and at the south end of the northbound lanes. The chain drag performed during the 2021 inspection revealed 215,333 sq. in. (1495 sq. ft) of delaminations and patched areas (not including the sidewalk). This is approximately a 600% increase from 2019. It is recommended that the delaminations and spalls with exposed rebar be repaired. The "delaminated area" map for the 2021 inspection is provided in the supplemental report.

42 ENGINEERING↗

DOE OSTI2023

The DESI One-Percent Survey: Constructing Galaxy–Halo Connections for ELGs and LRGs Using Auto and Cross Correlations

In the current Dark Energy Spectroscopic Instrument (DESI) survey, emission line galaxies (ELGs) and luminous red galaxies (LRGs) are essential for mapping the dark matter distribution at z ~ 1. We measure the auto and cross correlation functions of ELGs and LRGs at 0.8 < z ≤ 1.0 from the DESI One-Percent survey. Following Gao et al., we construct the galaxy–halo connections for ELGs and LRGs simultaneously. With the stellar–halo mass relation for the whole galaxy population (i.e., normal galaxies), LRGs can be selected directly by stellar mass, while ELGs can also be selected randomly based on the observed number density of each stellar mass, once the probability P sat of a satellite galaxy becoming an ELG is determined. We demonstrate that the observed small scale clustering prefers a halo mass-dependent P sat model rather than a constant. With this model, we can well reproduce the auto correlations of LRGs and the cross correlations between LRGs and ELGs at r p > 0.1 Mpc h –1 . We can also reproduce the auto correlations of ELGs at r p > 0.3 Mpc h –1 (s > 1 Mpc h –1 ) in real (redshift) space. Although our model has only seven parameters, we show that it can be extended to higher redshifts and reproduces the observed auto correlations of ELGs in the whole range of 0.8 < z ≤ 1.6, which enables us to generate a lightcone ELG mock for DESI. With the above model, we further derive halo occupation distributions for ELGs, which can be used to produce ELG mocks in coarse simulations without resolving subhalos.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

MEGASIM: Distribution and Detection of Earth Trojan Asteroids

Abstract Using N -body simulation results from the MEGASIM data set, we present spatial distributions of Earth Trojan Asteroids and assess the detectability of the population in current and next-generation ground-based astronomical surveys. Our high-fidelity Earth Trojan Asteroid (ETA) distribution maps show never-before-seen high-resolution spatial features that evolve over timescales up to 1 Gyr. The simulation was synchronized to start times and timelines of two observational astronomy surveys: (1) the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST) and (2) the Zwicky Transient Facility (ZTF). We calculate upper limits for the number of ETAs potentially observable with both the ZTF and LSST surveys. Due to the Yarkovsky Effect, we find no stable ETAs on billion-year timescales likely to be detected by any ETA survey, as no C-type or S-type ETAs (with H < 22 and H < 24, respectively) are likely to be stable on billion-year timescales, and ETAs large enough to remain stable on billion-year timescales are very rare relative to the rest of the ETA population. We find that a twilight ETA survey will not drastically increase the likelihood of individual ETA detection, but it would provide orders of magnitude more observations of select ETA populations. The null detection to date from ZTF restricts the potential ETA population to hundreds of objects larger than 100 m (at H ≈ 22), while a null detection by LSST will further restrict the ETA population to tens of objects larger than 100 m.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1981

Remote sensing of precipitable water over the oceans from Nimbus-7 microwave measurements

Global maps of precipitable water over derived from scanning multichannel microwave radiometer (SMMR) data reveal salient features associated with ocean currents and the large scale general circulation in the atmosphere. Nimbus-7 SMMR brightness temperature measurements in the 21 and 18 GHz channels are used to sense the precipitable water in the atmospheric over oceans. The difference in the brightness temperature (T sub 21 -T sub 18), both in the horizontal and vertical polarization, is found to be essentially a function of the precipitable water in the atmosphere. An equation, based on the physical consideration of the radiative transfer in the microwave region, is developed to relate the precipitable water to (T sub 21 - T sub 18). It shows that the signal (T sub 21- T sub 18) does not suffer severely from the noise introduced by variations in the sea surface temperature, surface winds, and liquid water content in non rain clouds. The rms deviation between the estimated precipitable water from SMMR data and that given by the closely coincident ship radiosondes is about 0.25 g/ sq cm

Prabhakara, C.↗

NASA NTRS1984

Evaluation of SIR-B imagery for geologic and geomorphic mapping, hydrology, and oceanography in Australia

The objectives of a study to evaluate the potential of Shuttle Imaging Radar-B (SIR-B) imagery for various applications are outlined. Specific goals include: the development of techniques for registration multiple acquisition, varied illumination, and incidence-angle SIR-B imagery, and a model for estimation of the relative contributions to the backscattered radiation of topography, surface roughness, and dielectric and conductivity components; (2) the evaluation of SIR-B imagery for delineation of agricultural lands affected by secondary salinity in the southwest and southeast agricultural regions of Australia; (3) the development of techniques for application of SIR-B imagery for geologic, geomorphologic and soils mapping and mineral exploration; and (4) the evaluation of the use of SIR-B imagery in determining ocean currents, current shear patterns, internal waves and bottom features for specific locations off the Australian coast.

Honey, F. R.↗